benzenesulfonate; prop-1-ene

Systemtic Name: benzenesulfonate; prop-1-ene Openeye Name: benzenesulfonate; prop-1-ene CAS Name: benzenesulfonate; 1-propene IUPAC Name: benzenesulfonate; prop-1-ene Traditional Name: prop-1-ene besylate Formula: C18H29O3S- MolecularWeight: 325.48606

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Descriptors Computed from Structure

Canonical SMILES:

CC=C.CC=C.CC=C.CC=C.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC=C.CC=C.CC=C.CC=C.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C6H6O3S.4C3H6/c7-10(8,9)6-4-2-1-3-5-6;4*1-3-2/h1-5H,(H,7,8,9);4*3H,1H2,2H3/p-1